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{
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{
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{
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{
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"structure_string": "Fe6 Cl18\n1.0\n3.093793 -5.358607 0.000000\n3.093793 5.358607 0.000000\n0.000000 0.000000 18.704710\nFe Cl\n6 18\ndirect\n0.333333 0.666667 0.666607 Fe\n0.666667 0.333333 0.335894 Fe\n0.333333 0.666667 0.333393 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.664106 Fe\n0.333333 0.666667 0.000000 Fe\n0.033180 0.333282 0.926141 Cl\n0.999216 0.366804 0.260639 Cl\n0.367588 0.000784 0.260639 Cl\n0.633196 0.000784 0.739361 Cl\n0.033180 0.699898 0.073859 Cl\n0.999216 0.632412 0.739361 Cl\n0.300102 0.333282 0.073859 Cl\n0.300102 0.966820 0.926141 Cl\n0.367588 0.366804 0.739361 Cl\n0.363694 0.364448 0.408082 Cl\n0.633196 0.632412 0.260639 Cl\n0.666718 0.966820 0.073859 Cl\n0.635552 0.999245 0.408082 Cl\n0.000755 0.364448 0.591918 Cl\n0.000755 0.636306 0.408082 Cl\n0.363694 0.999245 0.591918 Cl\n0.666718 0.699898 0.926141 Cl\n0.635552 0.636306 0.591918 Cl\n",
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{
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"structure_string": "Nb2 Cr6 Cu4 S16\n1.0\n11.451797 0.000000 -0.061836\n0.000000 3.417611 0.000000\n-0.064601 0.000000 12.058085\nNb Cr Cu S\n2 6 4 16\ndirect\n0.146472 0.250000 0.714156 Nb\n0.853528 0.750000 0.285844 Nb\n0.118678 0.250000 0.074218 Cr\n0.881322 0.750000 0.925782 Cr\n0.390487 0.750000 0.567769 Cr\n0.609513 0.250000 0.432231 Cr\n0.353922 0.750000 0.205657 Cr\n0.646078 0.250000 0.794343 Cr\n0.131798 0.750000 0.415927 Cu\n0.868202 0.250000 0.584073 Cu\n0.387552 0.250000 0.937521 Cu\n0.612448 0.750000 0.062479 Cu\n0.033084 0.750000 0.610330 S\n0.966916 0.250000 0.389670 S\n0.468882 0.250000 0.118909 S\n0.531118 0.750000 0.881091 S\n0.025328 0.250000 0.880717 S\n0.974672 0.750000 0.119283 S\n0.471013 0.750000 0.384084 S\n0.528987 0.250000 0.615916 S\n0.215300 0.250000 0.250913 S\n0.784700 0.750000 0.749087 S\n0.297508 0.750000 0.750460 S\n0.702492 0.250000 0.249540 S\n0.251742 0.750000 0.030213 S\n0.748258 0.250000 0.969787 S\n0.250048 0.250000 0.523144 S\n0.749952 0.750000 0.476856 S\n",
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{
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"created_at": "2022-09-04T14:42:57.998373Z",
"structure_string": "K1 Na1 Mg30 O31\n1.0\n8.484542 0.000000 0.000000\n0.000000 8.648501 0.000000\n0.000000 0.000000 8.689112\nK Na Mg O\n1 1 30 31\ndirect\n0.070461 0.000000 0.000000 K\n0.993669 0.000000 0.500000 Na\n0.991605 0.500000 0.000000 Mg\n0.996134 0.500000 0.500000 Mg\n0.520308 0.000000 0.000000 Mg\n0.501415 0.000000 0.500000 Mg\n0.504348 0.500000 0.000000 Mg\n0.500829 0.500000 0.500000 Mg\n0.997112 0.249041 0.253000 Mg\n0.997112 0.249041 0.747000 Mg\n0.997112 0.750959 0.253000 Mg\n0.997112 0.750959 0.747000 Mg\n0.498891 0.247600 0.248742 Mg\n0.498891 0.247600 0.751258 Mg\n0.498891 0.752400 0.248742 Mg\n0.498891 0.752400 0.751258 Mg\n0.244058 0.000000 0.279508 Mg\n0.244058 0.000000 0.720492 Mg\n0.247423 0.500000 0.254135 Mg\n0.247423 0.500000 0.745865 Mg\n0.759380 0.000000 0.249379 Mg\n0.759380 0.000000 0.750621 Mg\n0.748914 0.500000 0.250932 Mg\n0.748914 0.500000 0.749068 Mg\n0.248015 0.277864 0.000000 Mg\n0.246765 0.253105 0.500000 Mg\n0.248015 0.722136 0.000000 Mg\n0.246765 0.746895 0.500000 Mg\n0.757993 0.245481 0.000000 Mg\n0.749996 0.247539 0.500000 Mg\n0.757993 0.754519 0.000000 Mg\n0.749996 0.752461 0.500000 Mg\n0.265470 0.000000 0.500000 O\n0.256365 0.500000 0.000000 O\n0.253104 0.500000 0.500000 O\n0.749217 0.000000 0.000000 O\n0.732207 0.000000 0.500000 O\n0.743924 0.500000 0.000000 O\n0.744772 0.500000 0.500000 O\n0.247934 0.244233 0.243067 O\n0.247934 0.244233 0.756933 O\n0.247934 0.755767 0.243067 O\n0.247934 0.755767 0.756933 O\n0.747504 0.249214 0.248979 O\n0.747504 0.249214 0.751021 O\n0.747504 0.750786 0.248979 O\n0.747504 0.750786 0.751021 O\n0.001659 0.000000 0.257769 O\n0.001659 0.000000 0.742231 O\n0.000186 0.500000 0.250758 O\n0.000186 0.500000 0.749242 O\n0.488445 0.000000 0.239667 O\n0.488445 0.000000 0.760333 O\n0.496532 0.500000 0.248246 O\n0.496532 0.500000 0.751754 O\n0.002440 0.270733 0.000000 O\n0.000922 0.265410 0.500000 O\n0.002440 0.729267 0.000000 O\n0.000922 0.734590 0.500000 O\n0.491515 0.244223 0.000000 O\n0.495960 0.251406 0.500000 O\n0.491515 0.755777 0.000000 O\n0.495960 0.748594 0.500000 O\n",
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{
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{
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"structure_string": "Na12 Ni4 As4 C4 O28\n1.0\n0.039742 -0.000105 5.253746\n9.077611 0.000161 0.103310\n0.000242 13.701563 -0.000291\nNa Ni As C O\n12 4 4 4 28\ndirect\n0.764710 0.079727 0.125015 Na\n0.764753 0.079673 0.625001 Na\n0.235293 0.920294 0.374991 Na\n0.235253 0.920322 0.874997 Na\n0.250040 0.260208 0.002545 Na\n0.250131 0.260150 0.502540 Na\n0.250071 0.260221 0.247468 Na\n0.250058 0.260157 0.747459 Na\n0.749931 0.739800 0.252535 Na\n0.749942 0.739850 0.752538 Na\n0.749956 0.739828 0.497463 Na\n0.749870 0.739848 0.997462 Na\n0.784605 0.342279 0.874862 Ni\n0.215373 0.657637 0.625140 Ni\n0.784685 0.342362 0.375045 Ni\n0.215331 0.657631 0.124930 Ni\n0.704579 0.417789 0.124986 As\n0.704596 0.417778 0.625001 As\n0.295433 0.582222 0.375014 As\n0.295394 0.582210 0.874993 As\n0.724032 0.060746 0.375021 C\n0.723970 0.060735 0.874986 C\n0.275971 0.939270 0.124983 C\n0.276027 0.939250 0.625015 C\n0.293543 0.081201 0.125011 O\n0.293536 0.081177 0.624999 O\n0.706458 0.918822 0.374988 O\n0.706437 0.918816 0.875009 O\n0.946368 0.122521 0.375041 O\n0.946290 0.122526 0.874980 O\n0.053636 0.877497 0.124963 O\n0.053717 0.877451 0.625016 O\n0.521515 0.145893 0.375016 O\n0.521441 0.145880 0.874965 O\n0.478486 0.854128 0.124989 O\n0.478572 0.854123 0.625032 O\n0.378314 0.449494 0.125001 O\n0.378339 0.449460 0.625043 O\n0.621700 0.550522 0.375005 O\n0.621636 0.550496 0.874956 O\n0.150917 0.415029 0.375030 O\n0.150838 0.415042 0.874988 O\n0.849094 0.584978 0.124974 O\n0.849116 0.584958 0.625013 O\n0.782173 0.306838 0.026573 O\n0.782277 0.306792 0.526613 O\n0.782379 0.306837 0.223390 O\n0.782421 0.306764 0.723378 O\n0.217628 0.693182 0.276615 O\n0.217590 0.693215 0.776610 O\n0.217821 0.693160 0.473431 O\n0.217749 0.693211 0.973384 O\n",
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